6SBG
Structure of type II terpene cyclase MstE_R337A from Scytonema in complex with geranylgeranyl dihydroxybenzoate (substrate)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.970, 77.750, 91.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.300 |
| R-factor | 0.1872 |
| Rwork | 0.185 |
| R-free | 0.22870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6sbb |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.243 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.137 | 0.570 |
| Number of reflections | 15698 | 1866 |
| <I/σ(I)> | 9.3 | 3.5 |
| Completeness [%] | 99.3 | 99.8 |
| Redundancy | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.5 M LiCl, 1.6 M (NH4)2SO4 |
